885460-16-2
4-CHLORO-2-[(METHYLTHIO)METHYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
Name4-CHLORO-2-[(METHYLTHIO)METHYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
1Identification
【Name】
4-CHLORO-2-[(METHYLTHIO)METHYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
【CAS】
【MDL】
MFCD06660695
【English Synonyms】
【Formula】
C12 H13 Cl N2 S2
【MolWeight】
284.834
【Inchi】
InChI=1S/C12H13ClN2S2/c1-16-6-9-14-11(13)10-7-4-2-3-5-8(7)17-12(10)15-9/h2-6H2,1H3
【InChIKey】
InChIKey=QQPQFRSUAUEYHK-UHFFFAOYSA-N
【SMILES】
CSCc1nc2c(c3c(s2)CCCC3)c(n1)Cl
【MOL File】
4-CHLORO-2-[(METHYLT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-2-[(METHYLTHIO)METHYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE.cml